Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50156762'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50156762 (2-(4-((2-(tert-butoxycarbonyl)-3-phenylpropanoylox...) Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C23H27NO6/c1-23(2,3)30-22(28)24-19(13-16-7-5-4-6-8-16)21(27)29-15-18-11-9-17(10-12-18)14-20(25)26/h4-12,19H,13-15H2,1-3H3,(H,24,28)(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay				J Med Chem 47: 6292-8 (2004) Article DOI: 10.1021/jm049933m BindingDB Entry DOI: 10.7270/Q2S1820Z
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